Geometry & MOs

Info

ID:	256566
PubChem CID:	103139930
Reduced:	F3N4C11H11 (1)
Stoich.:	A3B4C11D11 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	-50.8
Dipole, Da:	6.91
IP(EA), eV:	-9.68(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-(dimethylamino)phenoxy]isoquinolin-5-amine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=CC(=C(C(=C2)F)F)F)NN

DOS

IR

Vibrations